SCHEMBL848085

SCHEMBL848085

O=C(O)c1ccc(F)cc1Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.60
AKR1C2 P52895 7/20 0.60
MAPT P10636 1/20 0.60
GFER P55789 1/20 0.60
NGLY1 Q96IV0 1/20 0.60
FABP4 P15090 1/20 0.59
MPO P05164 2/20 0.54
GRIK1 P39086 2/20 0.53
CLCN2 P51788 1/20 0.52
TAS2R14 Q9NYV8 2/20 0.51
PTGS1 P23219 2/20 0.50
PTGS2 P35354 1/20 0.50
CDC7 O00311 2/20 0.49
DAPK3 O43293 2/20 0.49
PIM1 P11309 2/20 0.49
CDK2 P24941 2/20 0.49
FLT3 P36888 2/20 0.49
GSK3B P49841 2/20 0.49
CDK9 P50750 2/20 0.49
CDK5 Q00535 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26596770 0.90 AKR1C3 (0.58) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL4213857 0.89 AKR1C3 (0.56) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL7844253 0.87 AKR1C3 (0.51) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL14598924 0.86 MAPT (0.65) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL21327632 0.85 AKR1C3 (0.65) AKR1C3AKR1C2MAPTGFERCLCN2
SCHEMBL6141327 0.85 FABP4 (0.62) AKR1C3AKR1C2MAPTFABP4MPO
SCHEMBL1958267 0.84 MAPT (0.67) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL27570509 0.84 GRIK1 (0.46) AKR1C3AKR1C2MAPTGFERNGLY1
SCHEMBL14576318 0.83 GRIK1 (0.54) AKR1C3AKR1C2MAPTFABP4GRIK1
SCHEMBL4215664 0.83 ACLY (0.52) AKR1C3AKR1C2MAPTGFERNGLY1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN disclosed
CN-109516946-B Method for preparing carbazole compound 上海交通大学 2022-01-11 CN disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 US disclosed
EP-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 AKR1C3 2033/4885AKR1C2 1403/4885MAPT 1251/4885
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 AKR1C3 1069/4885AKR1C2 1207/4885MAPT 3733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.